Compound Identification
SMILES
OC(=O)C(=O)CC(=O)C1=CC(OCC=C)=CC=C1
InChIKey
InChIKey=RZTAIOQWKGDUNG-UHFFFAOYSA-N
Formula
C13H12O5
Mass
248.234
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones Phenoxy compounds Phenol ethers Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Beta-diketones Alkyl aryl ethers Alpha-keto acids and derivatives Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzoyl - Phenoxy compound - Gamma-keto acid - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - 1,3-diketone - 1,3-dicarbonyl compound - Keto acid - Alpha-keto acid - Benzenoid - Monocyclic benzene moiety - Alpha-hydroxy ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available